3-ethenylpiperidine

C7H13N — CID 10996985

IUPAC3-ethenylpiperidine
SMILESC=CC1CCCNC1
InChIInChI=1S/C7H13N/c1-2-7-4-3-5-8-6-7/h2,7-8H,1,3-6H2
InChIKeyLYMGNRHDFKUCDQ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.17
Rot. Bonds1

About 3-ethenylpiperidine

3-ethenylpiperidine (PubChem CID 10996985) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-ethenylpiperidine.

Molecular Properties

Compound Name3-ethenylpiperidine
PubChem CID10996985
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-ethenylpiperidine
SMILESC=CC1CCCNC1
InChIInChI=1S/C7H13N/c1-2-7-4-3-5-8-6-7/h2,7-8H,1,3-6H2
InChIKeyLYMGNRHDFKUCDQ-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylpiperidine?
The IUPAC name of 3-ethenylpiperidine (CID 10996985) is 3-ethenylpiperidine.
What is the SMILES notation for 3-ethenylpiperidine?
The canonical SMILES for 3-ethenylpiperidine is C=CC1CCCNC1.
What is the InChIKey of 3-ethenylpiperidine?
The InChIKey is LYMGNRHDFKUCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-7-4-3-5-8-6-7/h2,7-8H,1,3-6H2.
What are the key properties of 3-ethenylpiperidine?
3-ethenylpiperidine has a molecular weight of 111.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpiperidine is sourced from PubChem (CID 10996985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).